SCHEMBL4880650

SCHEMBL4880650

CCCC(CC)CC(O)C(C)(O)CC

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL634000 0.83 TSHR (0.38) TSHR
SCHEMBL581624 0.83 TSHR (0.38) TSHR
SCHEMBL4882165 0.79 TSHR (0.40) TSHRALDH1A1
SCHEMBL4951490 0.73
SCHEMBL9093162 0.71 ALDH1A1 (0.39) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL20450637 0.71 TSHR (0.52) TSHR
SCHEMBL4279899 0.69 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL20298427 0.69 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL14384216 0.69 TSHR (0.45) TSHRALDH1A1
SCHEMBL20298367 0.69 ALDH1A1 (0.37) TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed